2-aminoethanol;3,4,4,4-tetrafluoro-N-(2-hydroxyethyl)-3-(trifluoromethyl)butane-1-sulfonamide;3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-sulfonyl chloride

C14H21ClF14N2O6S2 — CID 159629889

IUPAC2-aminoethanol;3,4,4,4-tetrafluoro-N-(2-hydroxyethyl)-3-(trifluoromethyl)butane-1-sulfonamide;3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-sulfonyl chloride
SMILESNCCO.O=S(=O)(CCC(F)(C(F)(F)F)C(F)(F)F)NCCO.O=S(=O)(Cl)CCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F7NO3S.C5H4ClF7O2S.C2H7NO/c8-5(6(9,10)11,7(12,13)14)1-4-19(17,18)15-2-3-16;6-16(14,15)2-1-3(7,4(8,9)10)5(11,12)13;3-1-2-4/h15-16H,1-4H2;1-2H2;4H,1-3H2
InChIKeyMOZFHNFWXXFGLH-UHFFFAOYSA-N
MW678.89 g/mol
LogP2.84
Rot. Bonds10

About 2-aminoethanol;3,4,4,4-tetrafluoro-N-(2-hydroxyethyl)-3-(trifluoromethyl)butane-1-sulfonamide;3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-sulfonyl chloride

2-aminoethanol;3,4,4,4-tetrafluoro-N-(2-hydroxyethyl)-3-(trifluoromethyl)butane-1-sulfonamide;3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-sulfonyl chloride (PubChem CID 159629889) has the molecular formula C14H21ClF14N2O6S2 and a molecular weight of 678.89 g/mol. Its IUPAC name is 2-aminoethanol;3,4,4,4-tetrafluoro-N-(2-hydroxyethyl)-3-(trifluoromethyl)butane-1-sulfonamide;3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-aminoethanol;3,4,4,4-tetrafluoro-N-(2-hydroxyethyl)-3-(trifluoromethyl)butane-1-sulfonamide;3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-sulfonyl chloride
PubChem CID159629889
Molecular FormulaC14H21ClF14N2O6S2
Molecular Weight678.89 g/mol
Exact Mass678.03
IUPAC Name2-aminoethanol;3,4,4,4-tetrafluoro-N-(2-hydroxyethyl)-3-(trifluoromethyl)butane-1-sulfonamide;3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-sulfonyl chloride
SMILESNCCO.O=S(=O)(CCC(F)(C(F)(F)F)C(F)(F)F)NCCO.O=S(=O)(Cl)CCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F7NO3S.C5H4ClF7O2S.C2H7NO/c8-5(6(9,10)11,7(12,13)14)1-4-19(17,18)15-2-3-16;6-16(14,15)2-1-3(7,4(8,9)10)5(11,12)13;3-1-2-4/h15-16H,1-4H2;1-2H2;4H,1-3H2
InChIKeyMOZFHNFWXXFGLH-UHFFFAOYSA-N
XLogP2.84
TPSA146.79 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500678.89
LogP ≤ 52.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-aminoethanol;3,4,4,4-tetrafluoro-N-(2-hydroxyethyl)-3-(trifluoromethyl)butane-1-sulfonamide;3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-sulfonyl chloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;3,4,4,4-tetrafluoro-N-(2-hydroxyethyl)-3-(trifluoromethyl)butane-1-sulfonamide;3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-sulfonyl chloride?
The IUPAC name of 2-aminoethanol;3,4,4,4-tetrafluoro-N-(2-hydroxyethyl)-3-(trifluoromethyl)butane-1-sulfonamide;3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-sulfonyl chloride (CID 159629889) is 2-aminoethanol;3,4,4,4-tetrafluoro-N-(2-hydroxyethyl)-3-(trifluoromethyl)butane-1-sulfonamide;3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-sulfonyl chloride.
What is the SMILES notation for 2-aminoethanol;3,4,4,4-tetrafluoro-N-(2-hydroxyethyl)-3-(trifluoromethyl)butane-1-sulfonamide;3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-sulfonyl chloride?
The canonical SMILES for 2-aminoethanol;3,4,4,4-tetrafluoro-N-(2-hydroxyethyl)-3-(trifluoromethyl)butane-1-sulfonamide;3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-sulfonyl chloride is NCCO.O=S(=O)(CCC(F)(C(F)(F)F)C(F)(F)F)NCCO.O=S(=O)(Cl)CCC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-aminoethanol;3,4,4,4-tetrafluoro-N-(2-hydroxyethyl)-3-(trifluoromethyl)butane-1-sulfonamide;3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-sulfonyl chloride?
The InChIKey is MOZFHNFWXXFGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F7NO3S.C5H4ClF7O2S.C2H7NO/c8-5(6(9,10)11,7(12,13)14)1-4-19(17,18)15-2-3-16;6-16(14,15)2-1-3(7,4(8,9)10)5(11,12)13;3-1-2-4/h15-16H,1-4H2;1-2H2;4H,1-3H2.
What are the key properties of 2-aminoethanol;3,4,4,4-tetrafluoro-N-(2-hydroxyethyl)-3-(trifluoromethyl)butane-1-sulfonamide;3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-sulfonyl chloride?
2-aminoethanol;3,4,4,4-tetrafluoro-N-(2-hydroxyethyl)-3-(trifluoromethyl)butane-1-sulfonamide;3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-sulfonyl chloride has a molecular weight of 678.89 g/mol, XLogP of 2.84, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;3,4,4,4-tetrafluoro-N-(2-hydroxyethyl)-3-(trifluoromethyl)butane-1-sulfonamide;3,4,4,4-tetrafluoro-3-(trifluoromethyl)butane-1-sulfonyl chloride is sourced from PubChem (CID 159629889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).